ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)pent-4-ynoate

Systemtic Name: ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)pent-4-ynoate Openeye Name: ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)pent-4-ynoate CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)pent-4-ynoate Traditional Name: 2-(carbomethoxyamino)-2-[2-(4-heptoxyphenyl)ethyl]pent-4-ynoic acid ethyl ester Formula: C24H35NO5 MolecularWeight: 417.5384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC#C)(C(=O)OCC)NC(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC#C)(C(=O)OCC)NC(=O)OC

InChI

InChI=1S/C24H35NO5/c1-5-8-9-10-11-19-30-21-14-12-20(13-15-21)16-18-24(17-6-2,22(26)29-7-3)25-23(27)28-4/h2,12-15H,5,7-11,16-19H2,1,3-4H3,(H,25,27)